1-ethyl-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide

• ChemBase ID: 637665
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: C(=O)(C1N(CC)CCCC1)Nc1cnc(Oc2ccccc2)cc1
• Canonical SMILES: CCN1CCCCC1C(=O)Nc1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C19H23N3O2/c1-2-22-13-7-6-10-17(22)19(23)21-15-11-12-18(20-14-15)24-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,17H,2,6-7,10,13H2,1H3,(H,21,23)
• InChIKey: FABHQPYGIHYQOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide
• IUPAC Traditional name: 1-ethyl-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide
• Synonyms: 1-ethyl-N-(6-phenoxy-3-pyridinyl)-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.361885
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6092238
• LogD (pH = 7.4): 3.1488616
• Log P: 3.3986573
• Molar Refractivity: 95.3833 cm^3
• Polarizability: 36.488476 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.36
• LOG S: -3.45
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4